Structure Info
- Chemspace ID
- CSMB06258381408 (Enamine MADE)
- CAS
- 1051257-59-0
- IUPAC Name
- 3-[(4-methylbenzenesulfonyl)oxy]-4-nitrobenzoic acid
- Mol formula
- C14H11NO7S
- Mol weight
- 337 Da
- Catalog Number(s)
- BBV-464767098, EN300-37153506
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.3
- Heavy atoms count
- 23
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.071
- Polar surface area (Å)
- 124
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB06258381408
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